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3UG

概要
表記:2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
組成式:C11 H12 F4 N2 O2 S
電荷:0
化学式量:312.284 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
OpenEye OEToolkits1.9.22,3,5,6-tetrakis(fluoranyl)-4-piperidin-1-yl-benzenesulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2
InChIInChI1.03InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19)
InChIKeyInChI1.03VVFJHOCIYNHEFY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F
SMILESCACTVS3.385N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F
SMILES_CANONICALOpenEye OEToolkits1.9.2C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F
SMILESOpenEye OEToolkits1.9.2C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F

221051

件を2024-06-12に公開中

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